4-(4-methylphenyl)sulfonyl-1,4-thiazepane

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1,4-thiazepane Openeye Name: 4-(p-tolylsulfonyl)-1,4-thiazepane CAS Name: 4-(4-methylphenyl)sulfonyl-1,4-thiazepane IUPAC Name: 4-(4-methylphenyl)sulfonyl-1,4-thiazepane Traditional Name: 4-tosyl-1,4-thiazepane Formula: C12H17NO2S2 MolecularWeight: 271.39888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCC2

InChI

InChI=1S/C12H17NO2S2/c1-11-3-5-12(6-4-11)17(14,15)13-7-2-9-16-10-8-13/h3-6H,2,7-10H2,1H3